MedKoo Cat#: 129048 | Name: DOTA-FAP-2286

Description:

WARNING: This product is for research use only, not for human or veterinary use.

DOTA-FAP-2286 is a FAP Radioligand.

Chemical Structure

DOTA-FAP-2286
DOTA-FAP-2286
CAS#2581741-18-4

Theoretical Analysis

MedKoo Cat#: 129048

Name: DOTA-FAP-2286

CAS#: 2581741-18-4

Chemical Formula: C67H99N13O18S3

Exact Mass: 1469.6400

Molecular Weight: 1470.78

Elemental Analysis: C, 54.71; H, 6.78; N, 12.38; O, 19.58; S, 6.54

Price and Availability

Related CAS #
N/A
Synonym
DOTA-FAP-2286; DOTA-FAP2286; DOTAFAP-2286; DOTAFAP2286
IUPAC/Chemical Name
2,2',2''-(10-(2-((2-((((12R,32R,5S,13S,16R,19R)-19-(3-amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((S)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
InChi Key
UHKLVUPDBJFFBB-JTODHNEKSA-N
InChi Code
InChI=1S/C67H99N13O18S3/c1-3-4-6-15-55(83)70-50-41-100-39-46-30-45(38-99-29-18-69-56(84)34-75-21-23-76(35-57(85)86)25-27-78(37-59(89)90)28-26-77(24-22-75)36-58(87)88)31-47(32-46)40-101-42-51(67(97)98)73-62(92)49(33-44-11-7-5-8-12-44)72-61(91)48(16-17-54(68)82)71-64(94)60(43(2)81)74-63(93)52-13-9-19-79(52)66(96)53-14-10-20-80(53)65(50)95/h5,7-8,11-12,30-32,43,48-53,60,81H,3-4,6,9-10,13-29,33-42H2,1-2H3,(H2,68,82)(H,69,84)(H,70,83)(H,71,94)(H,72,91)(H,73,92)(H,74,93)(H,85,86)(H,87,88)(H,89,90)(H,97,98)/t43-,48+,49+,50+,51+,52+,53+,60?/m0/s1
SMILES Code
O=C([C@H]1CCCN1C([C@H](NC(CCCCC)=O)CSCC2=CC(CSCCNC(CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)=O)=CC(CSC[C@H](C(O)=O)N4)=C2)=O)N5[C@H](CCC5)C(NC([C@H](C)O)C(N[C@H](CCC(N)=O)C(N[C@H](CC6=CC=CC=C6)C4=O)=O)=O)=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 1,470.78 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

Peng S, Li B, Sun M, Yang J, Cai Z, Liu Y, Tang P, Feng D, Cao Q, Ran P, Hu K. Development of Cysteic Acid-Modified FAP Radioligands for Enhanced Renal Clearance: From Preclinical Optimization to First-in-Human Study. J Med Chem. 2025 Jun 18. doi: 10.1021/acs.jmedchem.5c01163. Epub ahead of print. PMID: 40528580.